Spectrum VF-NPL-QTOF007696 for feruloyltyramine

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
NPNNKDMSXVRADT-WEVVVXLNSA-N
C18H19NO4
313.131408088
OC(=NCCC1=CC=C(O)C=C1)C=CC2=CC=C(O)C(OC)=C2
InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

Mass Spectral Metadata

NameValue
-7.780880000041179E-4 Da
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
MX_C1_252
2.68 minutes
0.21130948761252902
0.15242757493569173
336.1204
[M+Na]+
2.3149085863402457 ppm